4-[(E)-(6-chloranyl-5-nitro-2-oxidanylidene-1H-indol-3-ylidene)methyl]benzoic acid

Systemtic Name: 4-[(E)-(6-chloranyl-5-nitro-2-oxidanylidene-1H-indol-3-ylidene)methyl]benzoic acid Openeye Name: 4-[(E)-(6-chloro-5-nitro-2-oxo-indolin-3-ylidene)methyl]benzoic acid CAS Name: 4-[(E)-(6-chloro-5-nitro-2-oxo-1H-indol-3-ylidene)methyl]benzoic acid IUPAC Name: 4-[(E)-(6-chloro-5-nitro-2-oxo-1H-indol-3-ylidene)methyl]benzoic acid Traditional Name: 4-[(E)-(6-chloro-2-keto-5-nitro-indolin-3-ylidene)methyl]benzoic acid Formula: C16H9ClN2O5 MolecularWeight: 344.70606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C2C3=CC(=C(C=C3NC2=O)Cl)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC=C1/C=C/2\C3=CC(=C(C=C3NC2=O)Cl)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H9ClN2O5/c17-12-7-13-10(6-14(12)19(23)24)11(15(20)18-13)5-8-1-3-9(4-2-8)16(21)22/h1-7H,(H,18,20)(H,21,22)/b11-5+