ethyl 3-[[4-[(4-methoxy-2-nitro-phenyl)amino]-4-oxidanylidene-butanoyl]oxymethyl]benzoate

Systemtic Name: ethyl 3-[[4-[(4-methoxy-2-nitro-phenyl)amino]-4-oxidanylidene-butanoyl]oxymethyl]benzoate Openeye Name: ethyl 3-[[4-(4-methoxy-2-nitro-anilino)-4-oxo-butanoyl]oxymethyl]benzoate CAS Name: 3-[[4-(4-methoxy-2-nitroanilino)-1,4-dioxobutoxy]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(4-methoxy-2-nitroanilino)-4-oxobutanoyl]oxymethyl]benzoate Traditional Name: 3-[[4-keto-4-(4-methoxy-2-nitro-anilino)butanoyl]oxymethyl]benzoic acid ethyl ester Formula: C21H22N2O8 MolecularWeight: 430.40798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)COC(=O)CCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)COC(=O)CCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O8/c1-3-30-21(26)15-6-4-5-14(11-15)13-31-20(25)10-9-19(24)22-17-8-7-16(29-2)12-18(17)23(27)28/h4-8,11-12H,3,9-10,13H2,1-2H3,(H,22,24)