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

Systemtic Name: 2-[[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(E)-3-(2,4-dichlorophenyl)-1-oxoprop-2-enyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[(E)-3-(2,4-dichlorophenyl)acryloyl]amino]methyl]-4-nitro-phenolate Formula: C16H11Cl2N2O4- MolecularWeight: 366.17554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])CNC(=O)C=CC2=C(C=C(C=C2)Cl)Cl)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H12Cl2N2O4/c17-12-3-1-10(14(18)8-12)2-6-16(22)19-9-11-7-13(20(23)24)4-5-15(11)21/h1-8,21H,9H2,(H,19,22)/p-1/b6-2+