tert-butyl 2-[3-[1-(3-azanylpropyl)-6-nitro-indol-3-yl]-6-methyl-2-oxidanylidene-quinoxalin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[3-[1-(3-azanylpropyl)-6-nitro-indol-3-yl]-6-methyl-2-oxidanylidene-quinoxalin-1-yl]ethanoate Openeye Name: tert-butyl 2-[3-[1-(3-aminopropyl)-6-nitro-indol-3-yl]-6-methyl-2-oxo-quinoxalin-1-yl]acetate CAS Name: 2-[3-[1-(3-aminopropyl)-6-nitro-3-indolyl]-6-methyl-2-oxo-1-quinoxalinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[1-(3-aminopropyl)-6-nitroindol-3-yl]-6-methyl-2-oxoquinoxalin-1-yl]acetate Traditional Name: 2-[3-[1-(3-aminopropyl)-6-nitro-indol-3-yl]-2-keto-6-methyl-quinoxalin-1-yl]acetic acid tert-butyl ester Formula: C26H29N5O5 MolecularWeight: 491.53896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C(=N2)C3=CN(C4=C3C=CC(=C4)[N+](=O)[O-])CCCN)CC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C(=N2)C3=CN(C4=C3C=CC(=C4)[N+](=O)[O-])CCCN)CC(=O)OC(C)(C)C

InChI

InChI=1S/C26H29N5O5/c1-16-6-9-21-20(12-16)28-24(25(33)30(21)15-23(32)36-26(2,3)4)19-14-29(11-5-10-27)22-13-17(31(34)35)7-8-18(19)22/h6-9,12-14H,5,10-11,15,27H2,1-4H3