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

Systemtic Name: tert-butyl 2-[3-[1-(3-azanylpropyl)-6-nitro-indol-3-yl]-6-methoxy-2-oxidanylidene-quinoxalin-1-yl]ethanoate Openeye Name: tert-butyl 2-[3-[1-(3-aminopropyl)-6-nitro-indol-3-yl]-6-methoxy-2-oxo-quinoxalin-1-yl]acetate CAS Name: 2-[3-[1-(3-aminopropyl)-6-nitro-3-indolyl]-6-methoxy-2-oxo-1-quinoxalinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[1-(3-aminopropyl)-6-nitroindol-3-yl]-6-methoxy-2-oxoquinoxalin-1-yl]acetate Traditional Name: 2-[3-[1-(3-aminopropyl)-6-nitro-indol-3-yl]-2-keto-6-methoxy-quinoxalin-1-yl]acetic acid tert-butyl ester Formula: C26H29N5O6 MolecularWeight: 507.53836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C2=C(C=C(C=C2)OC)N=C(C1=O)C3=CN(C4=C3C=CC(=C4)[N+](=O)[O-])CCCN

Isomeric SMILES

CC(C)(C)OC(=O)CN1C2=C(C=C(C=C2)OC)N=C(C1=O)C3=CN(C4=C3C=CC(=C4)[N+](=O)[O-])CCCN

InChI

InChI=1S/C26H29N5O6/c1-26(2,3)37-23(32)15-30-21-9-7-17(36-4)13-20(21)28-24(25(30)33)19-14-29(11-5-10-27)22-12-16(31(34)35)6-8-18(19)22/h6-9,12-14H,5,10-11,15,27H2,1-4H3