propan-2-yl 5-nitro-2-[(phenylmethyl)amino]benzoate

Systemtic Name: propan-2-yl 5-nitro-2-[(phenylmethyl)amino]benzoate Openeye Name: isopropyl 2-(benzylamino)-5-nitro-benzoate CAS Name: 5-nitro-2-[(phenylmethyl)amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(benzylamino)-5-nitrobenzoate Traditional Name: 2-(benzylamino)-5-nitro-benzoic acid isopropyl ester Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O4/c1-12(2)23-17(20)15-10-14(19(21)22)8-9-16(15)18-11-13-6-4-3-5-7-13/h3-10,12,18H,11H2,1-2H3