azanyl 2-ethyl-3-nitro-4-[(phenylmethyl)amino]benzoate

Systemtic Name: azanyl 2-ethyl-3-nitro-4-[(phenylmethyl)amino]benzoate Openeye Name: amino 4-(benzylamino)-2-ethyl-3-nitro-benzoate CAS Name: 2-ethyl-3-nitro-4-[(phenylmethyl)amino]benzoic acid amino ester IUPAC Name: amino 4-(benzylamino)-2-ethyl-3-nitrobenzoate Traditional Name: 4-(benzylamino)-2-ethyl-3-nitro-benzoic acid amino ester Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1[N+](=O)[O-])NCC2=CC=CC=C2)C(=O)ON

Isomeric SMILES

CCC1=C(C=CC(=C1[N+](=O)[O-])NCC2=CC=CC=C2)C(=O)ON

InChI

InChI=1S/C16H17N3O4/c1-2-12-13(16(20)23-17)8-9-14(15(12)19(21)22)18-10-11-6-4-3-5-7-11/h3-9,18H,2,10,17H2,1H3