3-[[2-cyano-3-[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[2-cyano-3-[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-[2-[(4-nitrophenyl)methoxy]-1-naphthyl]prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-3-[2-[(4-nitrophenyl)methoxy]-1-naphthalenyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-[2-(4-nitrobenzyl)oxy-1-naphthyl]acryloyl]amino]benzoic acid Formula: C28H19N3O6 MolecularWeight: 493.46696

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=C2C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H19N3O6/c29-16-21(27(32)30-22-6-3-5-20(14-22)28(33)34)15-25-24-7-2-1-4-19(24)10-13-26(25)37-17-18-8-11-23(12-9-18)31(35)36/h1-15H,17H2,(H,30,32)(H,33,34)