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

Systemtic Name: azanyl 2-ethyl-3-nitro-4-[(phenylmethyl)amino]benzoate hydrochloride Openeye Name: amino 4-(benzylamino)-2-ethyl-3-nitro-benzoate hydrochloride CAS Name: 2-ethyl-3-nitro-4-[(phenylmethyl)amino]benzoic acid amino ester hydrochloride IUPAC Name: amino 4-(benzylamino)-2-ethyl-3-nitrobenzoate hydrochloride Traditional Name: 4-(benzylamino)-2-ethyl-3-nitro-benzoic acid amino ester hydrochloride Formula: C16H18ClN3O4 MolecularWeight: 351.78482

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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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O4.ClH/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;1H