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

Systemtic Name: 2-[[[(E)-3-(3-chloranyl-4-methyl-phenyl)prop-2-enoyl]amino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[(E)-3-(3-chloro-4-methyl-phenyl)prop-2-enoyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(E)-3-(3-chloro-4-methylphenyl)-1-oxoprop-2-enyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[(E)-3-(3-chloro-4-methyl-phenyl)acryloyl]amino]methyl]-4-nitro-phenolate Formula: C17H14ClN2O4- MolecularWeight: 345.75706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN2O4/c1-11-2-3-12(8-15(11)18)4-7-17(22)19-10-13-9-14(20(23)24)5-6-16(13)21/h2-9,21H,10H2,1H3,(H,19,22)/p-1/b7-4+