5-chloranyl-3-[2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-1H-indole-2-carboxylic acid

Systemtic Name: 5-chloranyl-3-[2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-1H-indole-2-carboxylic acid Openeye Name: 5-chloro-3-[2-(2-methyl-3-nitro-anilino)-2-oxo-ethyl]-1H-indole-2-carboxylic acid CAS Name: 5-chloro-3-[2-(2-methyl-3-nitroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid IUPAC Name: 5-chloro-3-[2-(2-methyl-3-nitroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid Traditional Name: 5-chloro-3-[2-keto-2-(2-methyl-3-nitro-anilino)ethyl]-1H-indole-2-carboxylic acid Formula: C18H14ClN3O5 MolecularWeight: 387.77386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CC2=C(NC3=C2C=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CC2=C(NC3=C2C=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C18H14ClN3O5/c1-9-13(3-2-4-15(9)22(26)27)20-16(23)8-12-11-7-10(19)5-6-14(11)21-17(12)18(24)25/h2-7,21H,8H2,1H3,(H,20,23)(H,24,25)