[2-[(2-methyl-1-phenyl-propyl)amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-[(2-methyl-1-phenyl-propyl)amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-[(2-methyl-1-phenyl-propyl)amino]-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-[(2-methyl-1-phenylpropyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methyl-1-phenylpropyl)amino]-2-oxoethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-keto-2-[(2-methyl-1-phenyl-propyl)amino]ethyl] ester Formula: C19H21N3O5 MolecularWeight: 371.38714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5/c1-12(2)18(13-6-4-3-5-7-13)21-17(23)11-27-19(24)14-8-9-15(20)16(10-14)22(25)26/h3-10,12,18H,11,20H2,1-2H3,(H,21,23)