tert-butyl 2-[3-[1-(3-azanylpropyl)-6-nitro-indol-3-yl]-7-nitro-2-oxidanylidene-quinoxalin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[3-[1-(3-azanylpropyl)-6-nitro-indol-3-yl]-7-nitro-2-oxidanylidene-quinoxalin-1-yl]ethanoate Openeye Name: tert-butyl 2-[3-[1-(3-aminopropyl)-6-nitro-indol-3-yl]-7-nitro-2-oxo-quinoxalin-1-yl]acetate CAS Name: 2-[3-[1-(3-aminopropyl)-6-nitro-3-indolyl]-7-nitro-2-oxo-1-quinoxalinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[1-(3-aminopropyl)-6-nitroindol-3-yl]-7-nitro-2-oxoquinoxalin-1-yl]acetate Traditional Name: 2-[3-[1-(3-aminopropyl)-6-nitro-indol-3-yl]-2-keto-7-nitro-quinoxalin-1-yl]acetic acid tert-butyl ester Formula: C25H26N6O7 MolecularWeight: 522.50994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N6O7/c1-25(2,3)38-22(32)14-29-21-12-16(31(36)37)6-8-19(21)27-23(24(29)33)18-13-28(10-4-9-26)20-11-15(30(34)35)5-7-17(18)20/h5-8,11-13H,4,9-10,14,26H2,1-3H3