methyl 3-nitro-5-(1,2,3,4-tetrahydrocarbazol-9-ylcarbonyl)benzoate

Systemtic Name: methyl 3-nitro-5-(1,2,3,4-tetrahydrocarbazol-9-ylcarbonyl)benzoate Openeye Name: methyl 3-nitro-5-(1,2,3,4-tetrahydrocarbazole-9-carbonyl)benzoate CAS Name: 3-nitro-5-[oxo(1,2,3,4-tetrahydrocarbazol-9-yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-(1,2,3,4-tetrahydrocarbazole-9-carbonyl)benzoate Traditional Name: 3-nitro-5-(1,2,3,4-tetrahydrocarbazole-9-carbonyl)benzoic acid methyl ester Formula: C21H18N2O5 MolecularWeight: 378.37802

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)N2C3=C(CCCC3)C4=CC=CC=C42)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N2C3=C(CCCC3)C4=CC=CC=C42)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O5/c1-28-21(25)14-10-13(11-15(12-14)23(26)27)20(24)22-18-8-4-2-6-16(18)17-7-3-5-9-19(17)22/h2,4,6,8,10-12H,3,5,7,9H2,1H3