2-[2-nitro-4-[(phenylmethyl)amino]naphthalen-1-yl]ethanoic acid

Systemtic Name: 2-[2-nitro-4-[(phenylmethyl)amino]naphthalen-1-yl]ethanoic acid Openeye Name: 2-[4-(benzylamino)-2-nitro-1-naphthyl]acetic acid CAS Name: 2-[2-nitro-4-[(phenylmethyl)amino]-1-naphthalenyl]acetic acid IUPAC Name: 2-[4-(benzylamino)-2-nitronaphthalen-1-yl]acetic acid Traditional Name: 2-[4-(benzylamino)-2-nitro-1-naphthyl]acetic acid Formula: C19H16N2O4 MolecularWeight: 336.34134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=CC(=C(C3=CC=CC=C32)CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=CC(=C(C3=CC=CC=C32)CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O4/c22-19(23)10-16-14-8-4-5-9-15(14)17(11-18(16)21(24)25)20-12-13-6-2-1-3-7-13/h1-9,11,20H,10,12H2,(H,22,23)