methyl 3-(4-chloranyl-2-nitro-phenoxy)-1-(phenylmethyl)indole-2-carboxylate

Systemtic Name: methyl 3-(4-chloranyl-2-nitro-phenoxy)-1-(phenylmethyl)indole-2-carboxylate Openeye Name: methyl 1-benzyl-3-(4-chloro-2-nitro-phenoxy)indole-2-carboxylate CAS Name: 3-(4-chloro-2-nitrophenoxy)-1-(phenylmethyl)-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-3-(4-chloro-2-nitrophenoxy)indole-2-carboxylate Traditional Name: 1-benzyl-3-(4-chloro-2-nitro-phenoxy)indole-2-carboxylic acid methyl ester Formula: C23H17ClN2O5 MolecularWeight: 436.84448

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N1CC3=CC=CC=C3)OC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N1CC3=CC=CC=C3)OC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H17ClN2O5/c1-30-23(27)21-22(31-20-12-11-16(24)13-19(20)26(28)29)17-9-5-6-10-18(17)25(21)14-15-7-3-2-4-8-15/h2-13H,14H2,1H3