[2-[(3-chlorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate

Systemtic Name: [2-[(3-chlorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: [2-[(3-chlorophenyl)methyl-methyl-amino]-2-oxo-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid [2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl] 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid [2-[(3-chlorobenzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C20H21ClN2O7 MolecularWeight: 436.84294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC(=O)N(C)CC2=CC(=CC=C2)Cl)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC(=O)N(C)CC2=CC(=CC=C2)Cl)OC

InChI

InChI=1S/C20H21ClN2O7/c1-4-29-18-10-16(23(26)27)15(9-17(18)28-3)20(25)30-12-19(24)22(2)11-13-6-5-7-14(21)8-13/h5-10H,4,11-12H2,1-3H3