2-[[(E)-3-(3,4-dichlorophenyl)but-2-enoyl]amino]-4-nitro-benzoic acid

Systemtic Name: 2-[[(E)-3-(3,4-dichlorophenyl)but-2-enoyl]amino]-4-nitro-benzoic acid Openeye Name: 2-[[(E)-3-(3,4-dichlorophenyl)but-2-enoyl]amino]-4-nitro-benzoic acid CAS Name: 2-[[(E)-3-(3,4-dichlorophenyl)-1-oxobut-2-enyl]amino]-4-nitrobenzoic acid IUPAC Name: 2-[[(E)-3-(3,4-dichlorophenyl)but-2-enoyl]amino]-4-nitrobenzoic acid Traditional Name: 2-[[(E)-3-(3,4-dichlorophenyl)but-2-enoyl]amino]-4-nitro-benzoic acid Formula: C17H12Cl2N2O5 MolecularWeight: 395.19358

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)O)C2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

C/C(=C\C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)O)/C2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C17H12Cl2N2O5/c1-9(10-2-5-13(18)14(19)7-10)6-16(22)20-15-8-11(21(25)26)3-4-12(15)17(23)24/h2-8H,1H3,(H,20,22)(H,23,24)/b9-6+