N1,N1-bis[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-(cyclopropylmethyl)pyrrol-3-yl]-2-nitro-benzene-1,4-dicarboxamide

Systemtic Name: N1,N1-bis[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-(cyclopropylmethyl)pyrrol-3-yl]-2-nitro-benzene-1,4-dicarboxamide Openeye Name: N1,N1-bis[5-[(3-amino-3-imino-propyl)carbamoyl]-1-(cyclopropylmethyl)pyrrol-3-yl]-2-nitro-terephthalamide CAS Name: N1,N1-bis[5-[[(3-amino-3-iminopropyl)amino]-oxomethyl]-1-(cyclopropylmethyl)-3-pyrrolyl]-2-nitrobenzene-1,4-dicarboxamide IUPAC Name: 1-N,1-N-bis[5-[(3-amino-3-iminopropyl)carbamoyl]-1-(cyclopropylmethyl)pyrrol-3-yl]-2-nitrobenzene-1,4-dicarboxamide Traditional Name: N,N-bis[5-[(3-amino-3-imino-propyl)carbamoyl]-1-(cyclopropylmethyl)pyrrol-3-yl]-2-nitro-terephthalamide Formula: C32H39N11O6 MolecularWeight: 673.72216

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN2C=C(C=C2C(=O)NCCC(=N)N)N(C3=CN(C(=C3)C(=O)NCCC(=N)N)CC4CC4)C(=O)C5=C(C=C(C=C5)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CC1CN2C=C(C=C2C(=O)NCCC(=N)N)N(C3=CN(C(=C3)C(=O)NCCC(=N)N)CC4CC4)C(=O)C5=C(C=C(C=C5)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C32H39N11O6/c33-27(34)7-9-38-30(45)25-12-21(16-40(25)14-18-1-2-18)42(32(47)23-6-5-20(29(37)44)11-24(23)43(48)49)22-13-26(31(46)39-10-8-28(35)36)41(17-22)15-19-3-4-19/h5-6,11-13,16-19H,1-4,7-10,14-15H2,(H3,33,34)(H3,35,36)(H2,37,44)(H,38,45)(H,39,46)