2-[[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]methyl]-4-nitro-phenolate Openeye Name: 4-nitro-2-[[[(E)-3-(o-tolyl)prop-2-enoyl]amino]methyl]phenolate CAS Name: 2-[[[(E)-3-(2-methylphenyl)-1-oxoprop-2-enyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]methyl]-4-nitrophenolate Traditional Name: 4-nitro-2-[[[(E)-3-(o-tolyl)acryloyl]amino]methyl]phenolate Formula: C17H15N2O4- MolecularWeight: 311.312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=CC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=CC=CC=C1/C=C/C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C17H16N2O4/c1-12-4-2-3-5-13(12)6-9-17(21)18-11-14-10-15(19(22)23)7-8-16(14)20/h2-10,20H,11H2,1H3,(H,18,21)/p-1/b9-6+