methyl 4-[[5-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethoxy]-5-oxidanylidene-pentanoyl]amino]benzoate

Systemtic Name: methyl 4-[[5-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethoxy]-5-oxidanylidene-pentanoyl]amino]benzoate Openeye Name: methyl 4-[[5-[2-(3-nitroanilino)-2-oxo-ethoxy]-5-oxo-pentanoyl]amino]benzoate CAS Name: 4-[[5-[2-(3-nitroanilino)-2-oxoethoxy]-1,5-dioxopentyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-[2-(3-nitroanilino)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate Traditional Name: 4-[[5-keto-5-[2-keto-2-(3-nitroanilino)ethoxy]pentanoyl]amino]benzoic acid methyl ester Formula: C21H21N3O8 MolecularWeight: 443.40674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O8/c1-31-21(28)14-8-10-15(11-9-14)22-18(25)6-3-7-20(27)32-13-19(26)23-16-4-2-5-17(12-16)24(29)30/h2,4-5,8-12H,3,6-7,13H2,1H3,(H,22,25)(H,23,26)