[1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-ethoxyphenyl)carbonylamino]ethanoate

Systemtic Name: [1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-ethoxyphenyl)carbonylamino]ethanoate Openeye Name: [2-(2-chloro-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-[(4-ethoxybenzoyl)amino]acetate CAS Name: 2-[[(4-ethoxyphenyl)-oxomethyl]amino]acetic acid [1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate Traditional Name: 2-[(4-ethoxybenzoyl)amino]acetic acid [2-(2-chloro-5-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C20H20ClN3O7 MolecularWeight: 449.8417

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NCC(=O)OC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NCC(=O)OC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H20ClN3O7/c1-3-30-15-7-4-13(5-8-15)20(27)22-11-18(25)31-12(2)19(26)23-17-10-14(24(28)29)6-9-16(17)21/h4-10,12H,3,11H2,1-2H3,(H,22,27)(H,23,26)