ethyl 4-(2-methyl-3-nitro-6-oxidanyl-indol-1-yl)benzoate

Systemtic Name: ethyl 4-(2-methyl-3-nitro-6-oxidanyl-indol-1-yl)benzoate Openeye Name: ethyl 4-(6-hydroxy-2-methyl-3-nitro-indol-1-yl)benzoate CAS Name: 4-(6-hydroxy-2-methyl-3-nitro-1-indolyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(6-hydroxy-2-methyl-3-nitroindol-1-yl)benzoate Traditional Name: 4-(6-hydroxy-2-methyl-3-nitro-indol-1-yl)benzoic acid ethyl ester Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=C(C3=C2C=C(C=C3)O)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=C(C3=C2C=C(C=C3)O)[N+](=O)[O-])C

InChI

InChI=1S/C18H16N2O5/c1-3-25-18(22)12-4-6-13(7-5-12)19-11(2)17(20(23)24)15-9-8-14(21)10-16(15)19/h4-10,21H,3H2,1-2H3