methyl 3-nitro-4-(phenethylamino)benzoate

Systemtic Name: methyl 3-nitro-4-(phenethylamino)benzoate Openeye Name: methyl 3-nitro-4-(phenethylamino)benzoate CAS Name: 3-nitro-4-(phenethylamino)benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-(phenethylamino)benzoate Traditional Name: 3-nitro-4-(phenethylamino)benzoic acid methyl ester Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)NCCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)NCCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O4/c1-22-16(19)13-7-8-14(15(11-13)18(20)21)17-10-9-12-5-3-2-4-6-12/h2-8,11,17H,9-10H2,1H3