[2-[(4-ethylphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN(C)C(=O)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)CN(C)C(=O)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5/c1-3-13-4-6-14(7-5-13)11-21(2)18(23)12-27-19(24)15-8-9-16(20)17(10-15)22(25)26/h4-10H,3,11-12,20H2,1-2H3