2-[2-[bis(azanyl)methylidenecarbamoyl]-4-chloranyl-1-methyl-indol-7-yl]oxyethanoic acid

Systemtic Name: 2-[2-[bis(azanyl)methylidenecarbamoyl]-4-chloranyl-1-methyl-indol-7-yl]oxyethanoic acid Openeye Name: 2-[4-chloro-2-(diaminomethylenecarbamoyl)-1-methyl-indol-7-yl]oxyacetic acid CAS Name: 2-[[4-chloro-2-[(diaminomethylideneamino)-oxomethyl]-1-methyl-7-indolyl]oxy]acetic acid IUPAC Name: 2-[4-chloro-2-(diaminomethylidenecarbamoyl)-1-methylindol-7-yl]oxyacetic acid Traditional Name: 2-[4-chloro-2-(diaminomethylenecarbamoyl)-1-methyl-indol-7-yl]oxyacetic acid Formula: C13H13ClN4O4 MolecularWeight: 324.71972

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=C(C=CC(=C21)OCC(=O)O)Cl)C(=O)N=C(N)N

Isomeric SMILES

CN1C(=CC2=C(C=CC(=C21)OCC(=O)O)Cl)C(=O)N=C(N)N

InChI

InChI=1S/C13H13ClN4O4/c1-18-8(12(21)17-13(15)16)4-6-7(14)2-3-9(11(6)18)22-5-10(19)20/h2-4H,5H2,1H3,(H,19,20)(H4,15,16,17,21)