[2-[(5-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-[(4-nitrophenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: [2-[(5-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-[(4-nitrophenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: [2-(5-methoxy-2-nitro-anilino)-2-oxo-ethyl] 5-(4-nitroanilino)-5-oxo-pentanoate CAS Name: 5-(4-nitroanilino)-5-oxopentanoic acid [2-(5-methoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-methoxy-2-nitroanilino)-2-oxoethyl] 5-(4-nitroanilino)-5-oxopentanoate Traditional Name: 5-keto-5-(4-nitroanilino)valeric acid [2-keto-2-(5-methoxy-2-nitro-anilino)ethyl] ester Formula: C20H20N4O9 MolecularWeight: 460.3942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)CCCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)CCCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O9/c1-32-15-9-10-17(24(30)31)16(11-15)22-19(26)12-33-20(27)4-2-3-18(25)21-13-5-7-14(8-6-13)23(28)29/h5-11H,2-4,12H2,1H3,(H,21,25)(H,22,26)