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

Systemtic Name: 2-[[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(E)-3-(3-chlorophenyl)-1-oxoprop-2-enyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[(E)-3-(3-chlorophenyl)acryloyl]amino]methyl]-4-nitro-phenolate Formula: C16H12ClN2O4- MolecularWeight: 331.73048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN2O4/c17-13-3-1-2-11(8-13)4-7-16(21)18-10-12-9-14(19(22)23)5-6-15(12)20/h1-9,20H,10H2,(H,18,21)/p-1/b7-4+