3-[1-(3-methoxy-4-phenylmethoxy-phenyl)-2-nitro-ethyl]-1H-indole

Systemtic Name: 3-[1-(3-methoxy-4-phenylmethoxy-phenyl)-2-nitro-ethyl]-1H-indole Openeye Name: 3-[1-(4-benzyloxy-3-methoxy-phenyl)-2-nitro-ethyl]-1H-indole CAS Name: 3-[1-(3-methoxy-4-phenylmethoxyphenyl)-2-nitroethyl]-1H-indole IUPAC Name: 3-[1-(3-methoxy-4-phenylmethoxyphenyl)-2-nitroethyl]-1H-indole Traditional Name: 3-[1-(4-benzoxy-3-methoxy-phenyl)-2-nitro-ethyl]-1H-indole Formula: C24H22N2O4 MolecularWeight: 402.44248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C[N+](=O)[O-])C2=CNC3=CC=CC=C32)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(C[N+](=O)[O-])C2=CNC3=CC=CC=C32)OCC4=CC=CC=C4

InChI

InChI=1S/C24H22N2O4/c1-29-24-13-18(11-12-23(24)30-16-17-7-3-2-4-8-17)21(15-26(27)28)20-14-25-22-10-6-5-9-19(20)22/h2-14,21,25H,15-16H2,1H3