2-nitro-6-[[1-(1-oxidanyl-1-oxidanylidene-octan-2-yl)imidazol-4-yl]carbamoyl]benzoic acid

Systemtic Name: 2-nitro-6-[[1-(1-oxidanyl-1-oxidanylidene-octan-2-yl)imidazol-4-yl]carbamoyl]benzoic acid Openeye Name: 2-[[1-(1-carboxyheptyl)imidazol-4-yl]carbamoyl]-6-nitro-benzoic acid CAS Name: 2-[[[1-(1-hydroxy-1-oxooctan-2-yl)-4-imidazolyl]amino]-oxomethyl]-6-nitrobenzoic acid IUPAC Name: 2-[[1-(1-hydroxy-1-oxooctan-2-yl)imidazol-4-yl]carbamoyl]-6-nitrobenzoic acid Traditional Name: 2-[[1-(1-carboxyheptyl)imidazol-4-yl]carbamoyl]-6-nitro-benzoic acid Formula: C19H22N4O7 MolecularWeight: 418.40058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)N1C=C(N=C1)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCCCCC(C(=O)O)N1C=C(N=C1)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C19H22N4O7/c1-2-3-4-5-8-14(18(25)26)22-10-15(20-11-22)21-17(24)12-7-6-9-13(23(29)30)16(12)19(27)28/h6-7,9-11,14H,2-5,8H2,1H3,(H,21,24)(H,25,26)(H,27,28)