ethyl 5-nitro-2-(phenylazanylmethyl)benzoate

Systemtic Name: ethyl 5-nitro-2-(phenylazanylmethyl)benzoate Openeye Name: ethyl 2-(anilinomethyl)-5-nitro-benzoate CAS Name: 2-(anilinomethyl)-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 2-(anilinomethyl)-5-nitrobenzoate Traditional Name: 2-(anilinomethyl)-5-nitro-benzoic acid ethyl ester Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])CNC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])CNC2=CC=CC=C2

InChI

InChI=1S/C16H16N2O4/c1-2-22-16(19)15-10-14(18(20)21)9-8-12(15)11-17-13-6-4-3-5-7-13/h3-10,17H,2,11H2,1H3