ethyl 2-[6-nitro-2,3-bis(oxidanylidene)-7-(4-phenethyl-2-piperazin-1-ylcarbonyl-pyrrol-1-yl)-4H-quinoxalin-1-yl]ethanoate

Systemtic Name: ethyl 2-[6-nitro-2,3-bis(oxidanylidene)-7-(4-phenethyl-2-piperazin-1-ylcarbonyl-pyrrol-1-yl)-4H-quinoxalin-1-yl]ethanoate Openeye Name: ethyl 2-[6-nitro-2,3-dioxo-7-[4-phenethyl-2-(piperazine-1-carbonyl)pyrrol-1-yl]-4H-quinoxalin-1-yl]acetate CAS Name: 2-[6-nitro-2,3-dioxo-7-[2-[oxo(1-piperazinyl)methyl]-4-phenethyl-1-pyrrolyl]-4H-quinoxalin-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-nitro-2,3-dioxo-7-[4-phenethyl-2-(piperazine-1-carbonyl)pyrrol-1-yl]-4H-quinoxalin-1-yl]acetate Traditional Name: 2-[2,3-diketo-6-nitro-7-[4-phenethyl-2-(piperazine-1-carbonyl)pyrrol-1-yl]-4H-quinoxalin-1-yl]acetic acid ethyl ester Formula: C29H30N6O7 MolecularWeight: 574.5845

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC(=C(C=C2NC(=O)C1=O)[N+](=O)[O-])N3C=C(C=C3C(=O)N4CCNCC4)CCC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)CN1C2=CC(=C(C=C2NC(=O)C1=O)[N+](=O)[O-])N3C=C(C=C3C(=O)N4CCNCC4)CCC5=CC=CC=C5

InChI

InChI=1S/C29H30N6O7/c1-2-42-26(36)18-34-22-16-23(24(35(40)41)15-21(22)31-27(37)29(34)39)33-17-20(9-8-19-6-4-3-5-7-19)14-25(33)28(38)32-12-10-30-11-13-32/h3-7,14-17,30H,2,8-13,18H2,1H3,(H,31,37)