tert-butyl 4-nitro-3-(phenylazanylmethyl)benzoate

Systemtic Name: tert-butyl 4-nitro-3-(phenylazanylmethyl)benzoate Openeye Name: tert-butyl 3-(anilinomethyl)-4-nitro-benzoate CAS Name: 3-(anilinomethyl)-4-nitrobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(anilinomethyl)-4-nitrobenzoate Traditional Name: 3-(anilinomethyl)-4-nitro-benzoic acid tert-butyl ester Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4/c1-18(2,3)24-17(21)13-9-10-16(20(22)23)14(11-13)12-19-15-7-5-4-6-8-15/h4-11,19H,12H2,1-3H3