4,6-bis(chloranyl)-2-(3-nitrophenyl)-3-(3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl)indole-2-carboxylic acid

Systemtic Name: 4,6-bis(chloranyl)-2-(3-nitrophenyl)-3-(3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl)indole-2-carboxylic acid Openeye Name: 3-(1-carboxyvinyl)-4,6-dichloro-2-(3-nitrophenyl)indole-2-carboxylic acid CAS Name: 4,6-dichloro-3-(3-hydroxy-3-oxoprop-1-en-2-yl)-2-(3-nitrophenyl)-2-indolecarboxylic acid IUPAC Name: 4,6-dichloro-3-(3-hydroxy-3-oxoprop-1-en-2-yl)-2-(3-nitrophenyl)indole-2-carboxylic acid Traditional Name: 3-(1-carboxyvinyl)-4,6-dichloro-2-(3-nitrophenyl)indole-2-carboxylic acid Formula: C18H10Cl2N2O6 MolecularWeight: 421.1878

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=C2C(=CC(=CC2=NC1(C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O)Cl)Cl)C(=O)O

Isomeric SMILES

C=C(C1=C2C(=CC(=CC2=NC1(C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O)Cl)Cl)C(=O)O

InChI

InChI=1S/C18H10Cl2N2O6/c1-8(16(23)24)15-14-12(20)6-10(19)7-13(14)21-18(15,17(25)26)9-3-2-4-11(5-9)22(27)28/h2-7H,1H2,(H,23,24)(H,25,26)