[2-[(4-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-nitro-benzoate

Systemtic Name: [2-[(4-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-nitro-benzoate Openeye Name: [2-(4-butoxycarbonylanilino)-2-oxo-ethyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [2-[4-[butoxy(oxo)methyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-butoxycarbonylanilino)-2-oxoethyl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [2-(4-butoxycarbonylanilino)-2-keto-ethyl] ester Formula: C20H19ClN2O7 MolecularWeight: 434.82706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClN2O7/c1-2-3-10-29-19(25)13-4-7-15(8-5-13)22-18(24)12-30-20(26)14-6-9-16(21)17(11-14)23(27)28/h4-9,11H,2-3,10,12H2,1H3,(H,22,24)