ethyl 9-[(3-chlorophenyl)methyl]-6-nitro-pyrido[3,4-b]indole-3-carboxylate

Systemtic Name: ethyl 9-[(3-chlorophenyl)methyl]-6-nitro-pyrido[3,4-b]indole-3-carboxylate Openeye Name: ethyl 9-[(3-chlorophenyl)methyl]-6-nitro-pyrido[3,4-b]indole-3-carboxylate CAS Name: 9-[(3-chlorophenyl)methyl]-6-nitro-3-pyrido[3,4-b]indolecarboxylic acid ethyl ester IUPAC Name: ethyl 9-[(3-chlorophenyl)methyl]-6-nitropyrido[3,4-b]indole-3-carboxylate Traditional Name: 9-(3-chlorobenzyl)-6-nitro-$b-carboline-3-carboxylic acid ethyl ester Formula: C21H16ClN3O4 MolecularWeight: 409.82244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC=C2C(=C1)C3=C(N2CC4=CC(=CC=C4)Cl)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NC=C2C(=C1)C3=C(N2CC4=CC(=CC=C4)Cl)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H16ClN3O4/c1-2-29-21(26)18-10-17-16-9-15(25(27)28)6-7-19(16)24(20(17)11-23-18)12-13-4-3-5-14(22)8-13/h3-11H,2,12H2,1H3