propan-2-yl 3-nitro-4-[(phenylmethyl)amino]benzoate

Systemtic Name: propan-2-yl 3-nitro-4-[(phenylmethyl)amino]benzoate Openeye Name: isopropyl 4-(benzylamino)-3-nitro-benzoate CAS Name: 3-nitro-4-[(phenylmethyl)amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(benzylamino)-3-nitrobenzoate Traditional Name: 4-(benzylamino)-3-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=CC(=C(C=C1)NCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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