propyl 3-nitro-4-[(phenylmethyl)amino]benzoate

Systemtic Name: propyl 3-nitro-4-[(phenylmethyl)amino]benzoate Openeye Name: propyl 4-(benzylamino)-3-nitro-benzoate CAS Name: 3-nitro-4-[(phenylmethyl)amino]benzoic acid propyl ester IUPAC Name: propyl 4-(benzylamino)-3-nitrobenzoate Traditional Name: 4-(benzylamino)-3-nitro-benzoic acid propyl ester Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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