2-[(1-carbonochloridoyl-5-nitro-indol-3-yl)methyl]-3-methoxy-benzoic acid

Systemtic Name: 2-[(1-carbonochloridoyl-5-nitro-indol-3-yl)methyl]-3-methoxy-benzoic acid Openeye Name: 2-[(1-chlorocarbonyl-5-nitro-indol-3-yl)methyl]-3-methoxy-benzoic acid CAS Name: 2-[(1-carbonochloridoyl-5-nitro-3-indolyl)methyl]-3-methoxybenzoic acid IUPAC Name: 2-[(1-carbonochloridoyl-5-nitroindol-3-yl)methyl]-3-methoxybenzoic acid Traditional Name: 2-[(1-chlorocarbonyl-5-nitro-indol-3-yl)methyl]-3-methoxy-benzoic acid Formula: C18H13ClN2O6 MolecularWeight: 388.75862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1CC2=CN(C3=C2C=C(C=C3)[N+](=O)[O-])C(=O)Cl)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1CC2=CN(C3=C2C=C(C=C3)[N+](=O)[O-])C(=O)Cl)C(=O)O

InChI

InChI=1S/C18H13ClN2O6/c1-27-16-4-2-3-12(17(22)23)14(16)7-10-9-20(18(19)24)15-6-5-11(21(25)26)8-13(10)15/h2-6,8-9H,7H2,1H3,(H,22,23)