methyl 2-[(3-chlorophenyl)methylamino]-5-nitro-benzoate

Systemtic Name: methyl 2-[(3-chlorophenyl)methylamino]-5-nitro-benzoate Openeye Name: methyl 2-[(3-chlorophenyl)methylamino]-5-nitro-benzoate CAS Name: 2-[(3-chlorophenyl)methylamino]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[(3-chlorophenyl)methylamino]-5-nitrobenzoate Traditional Name: 2-[(3-chlorobenzyl)amino]-5-nitro-benzoic acid methyl ester Formula: C15H13ClN2O4 MolecularWeight: 320.72772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC(=CC=C2)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC(=CC=C2)Cl

InChI

InChI=1S/C15H13ClN2O4/c1-22-15(19)13-8-12(18(20)21)5-6-14(13)17-9-10-3-2-4-11(16)7-10/h2-8,17H,9H2,1H3