2-[butyl-[3-[(4-isocyano-2-methyl-pyrazol-3-yl)diazenyl]-1,2-dimethyl-indol-5-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[butyl-[3-[(4-isocyano-2-methyl-pyrazol-3-yl)diazenyl]-1,2-dimethyl-indol-5-yl]carbamoyl]benzoic acid Openeye Name: 2-[butyl-[3-(4-isocyano-2-methyl-pyrazol-3-yl)azo-1,2-dimethyl-indol-5-yl]carbamoyl]benzoic acid CAS Name: 2-[[butyl-[3-[(4-isocyano-2-methyl-3-pyrazolyl)azo]-1,2-dimethyl-5-indolyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[butyl-[3-[(4-isocyano-2-methylpyrazol-3-yl)diazenyl]-1,2-dimethylindol-5-yl]carbamoyl]benzoic acid Traditional Name: 2-[butyl-[3-(4-isocyano-2-methyl-pyrazol-3-yl)azo-1,2-dimethyl-indol-5-yl]carbamoyl]benzoic acid Formula: C27H27N7O3 MolecularWeight: 497.54838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC2=C(C=C1)N(C(=C2N=NC3=C(C=NN3C)[N+]#[C-])C)C)C(=O)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCCCN(C1=CC2=C(C=C1)N(C(=C2N=NC3=C(C=NN3C)[N+]#[C-])C)C)C(=O)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C27H27N7O3/c1-6-7-14-34(26(35)19-10-8-9-11-20(19)27(36)37)18-12-13-23-21(15-18)24(17(2)32(23)4)30-31-25-22(28-3)16-29-33(25)5/h8-13,15-16H,6-7,14H2,1-2,4-5H3,(H,36,37)