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

Systemtic Name: 3-nitro-2-[[1-(1-oxidanyl-1-oxidanylidene-octan-2-yl)imidazol-4-yl]carbamoyl]benzoic acid Openeye Name: 2-[[1-(1-carboxyheptyl)imidazol-4-yl]carbamoyl]-3-nitro-benzoic acid CAS Name: 2-[[[1-(1-hydroxy-1-oxooctan-2-yl)-4-imidazolyl]amino]-oxomethyl]-3-nitrobenzoic acid IUPAC Name: 2-[[1-(1-hydroxy-1-oxooctan-2-yl)imidazol-4-yl]carbamoyl]-3-nitrobenzoic acid Traditional Name: 2-[[1-(1-carboxyheptyl)imidazol-4-yl]carbamoyl]-3-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(19(27)28)22-10-15(20-11-22)21-17(24)16-12(18(25)26)7-6-9-13(16)23(29)30/h6-7,9-11,14H,2-5,8H2,1H3,(H,21,24)(H,25,26)(H,27,28)