[4-[2-[5-[(4-methyl-3-nitro-phenyl)amino]-5-oxidanylidene-pentanoyl]oxyethanoyl]phenyl] 3-methoxybenzoate

Systemtic Name: [4-[2-[5-[(4-methyl-3-nitro-phenyl)amino]-5-oxidanylidene-pentanoyl]oxyethanoyl]phenyl] 3-methoxybenzoate Openeye Name: [4-[2-[5-(4-methyl-3-nitro-anilino)-5-oxo-pentanoyl]oxyacetyl]phenyl] 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid [4-[2-[5-(4-methyl-3-nitroanilino)-1,5-dioxopentoxy]-1-oxoethyl]phenyl] ester IUPAC Name: [4-[2-[5-(4-methyl-3-nitroanilino)-5-oxopentanoyl]oxyacetyl]phenyl] 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid [4-[2-[5-keto-5-(4-methyl-3-nitro-anilino)pentanoyl]oxyacetyl]phenyl] ester Formula: C28H26N2O9 MolecularWeight: 534.51404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCCC(=O)OCC(=O)C2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCCC(=O)OCC(=O)C2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C28H26N2O9/c1-18-9-12-21(16-24(18)30(35)36)29-26(32)7-4-8-27(33)38-17-25(31)19-10-13-22(14-11-19)39-28(34)20-5-3-6-23(15-20)37-2/h3,5-6,9-16H,4,7-8,17H2,1-2H3,(H,29,32)