6-[(2,4-dinitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[(2,4-dinitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[(2,4-dinitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[(2,4-dinitroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[(2,4-dinitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[(2,4-dinitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C14H13N3O7 MolecularWeight: 335.26892

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1C=CCC(C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H13N3O7/c18-13(9-3-1-2-4-10(9)14(19)20)15-11-6-5-8(16(21)22)7-12(11)17(23)24/h1-2,5-7,9-10H,3-4H2,(H,15,18)(H,19,20)