methyl 4-[[4-[(4-carbamimidoylphenyl)carbonyl-methyl-amino]-3-nitro-phenyl]carbonylamino]butanoate

Systemtic Name: methyl 4-[[4-[(4-carbamimidoylphenyl)carbonyl-methyl-amino]-3-nitro-phenyl]carbonylamino]butanoate Openeye Name: methyl 4-[[4-[(4-carbamimidoylbenzoyl)-methyl-amino]-3-nitro-benzoyl]amino]butanoate CAS Name: 4-[[[4-[[(4-carbamimidoylphenyl)-oxomethyl]-methylamino]-3-nitrophenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-[(4-carbamimidoylbenzoyl)-methylamino]-3-nitrobenzoyl]amino]butanoate Traditional Name: 4-[[4-[(4-amidinobenzoyl)-methyl-amino]-3-nitro-benzoyl]amino]butyric acid methyl ester Formula: C21H23N5O6 MolecularWeight: 441.43722

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C=C(C=C1)C(=O)NCCCC(=O)OC)[N+](=O)[O-])C(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CN(C1=C(C=C(C=C1)C(=O)NCCCC(=O)OC)[N+](=O)[O-])C(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C21H23N5O6/c1-25(21(29)14-7-5-13(6-8-14)19(22)23)16-10-9-15(12-17(16)26(30)31)20(28)24-11-3-4-18(27)32-2/h5-10,12H,3-4,11H2,1-2H3,(H3,22,23)(H,24,28)