methyl 4-[[1-[(7-chloranylquinolin-2-yl)methyl]-5-nitro-indol-3-yl]methyl]-3-methoxy-benzoate

Systemtic Name: methyl 4-[[1-[(7-chloranylquinolin-2-yl)methyl]-5-nitro-indol-3-yl]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[1-[(7-chloro-2-quinolyl)methyl]-5-nitro-indol-3-yl]methyl]-3-methoxy-benzoate CAS Name: 4-[[1-[(7-chloro-2-quinolinyl)methyl]-5-nitro-3-indolyl]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[1-[(7-chloroquinolin-2-yl)methyl]-5-nitroindol-3-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[1-[(7-chloro-2-quinolyl)methyl]-5-nitro-indol-3-yl]methyl]-3-methoxy-benzoic acid methyl ester Formula: C28H22ClN3O5 MolecularWeight: 515.94438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)CC2=CN(C3=C2C=C(C=C3)[N+](=O)[O-])CC4=NC5=C(C=CC(=C5)Cl)C=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)CC2=CN(C3=C2C=C(C=C3)[N+](=O)[O-])CC4=NC5=C(C=CC(=C5)Cl)C=C4

InChI

InChI=1S/C28H22ClN3O5/c1-36-27-12-19(28(33)37-2)4-3-18(27)11-20-15-31(26-10-9-23(32(34)35)14-24(20)26)16-22-8-6-17-5-7-21(29)13-25(17)30-22/h3-10,12-15H,11,16H2,1-2H3