2-[[[(E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoyl]amino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[[(E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoyl]amino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[(E)-3-(6-methoxy-2-naphthyl)prop-2-enoyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(E)-3-(6-methoxy-2-naphthalenyl)-1-oxoprop-2-enyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[(E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[(E)-3-(6-methoxy-2-naphthyl)acryloyl]amino]methyl]-4-nitro-phenolate Formula: C21H17N2O5- MolecularWeight: 377.37008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C=C2)C=CC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C=C2)/C=C/C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C21H18N2O5/c1-28-19-7-5-15-10-14(2-4-16(15)12-19)3-9-21(25)22-13-17-11-18(23(26)27)6-8-20(17)24/h2-12,24H,13H2,1H3,(H,22,25)/p-1/b9-3+