N-[2-(4-ethoxy-3-methoxy-phenyl)-2-(1H-indol-3-yl)ethyl]-4-(methylamino)-3-nitro-benzamide

Systemtic Name: N-[2-(4-ethoxy-3-methoxy-phenyl)-2-(1H-indol-3-yl)ethyl]-4-(methylamino)-3-nitro-benzamide Openeye Name: N-[2-(4-ethoxy-3-methoxy-phenyl)-2-(1H-indol-3-yl)ethyl]-4-(methylamino)-3-nitro-benzamide CAS Name: N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-4-(methylamino)-3-nitrobenzamide IUPAC Name: N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-4-(methylamino)-3-nitrobenzamide Traditional Name: N-[2-(4-ethoxy-3-methoxy-phenyl)-2-(1H-indol-3-yl)ethyl]-4-(methylamino)-3-nitro-benzamide Formula: C27H28N4O5 MolecularWeight: 488.53502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(CNC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-])C3=CNC4=CC=CC=C43)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(CNC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-])C3=CNC4=CC=CC=C43)OC

InChI

InChI=1S/C27H28N4O5/c1-4-36-25-12-10-17(14-26(25)35-3)20(21-16-29-22-8-6-5-7-19(21)22)15-30-27(32)18-9-11-23(28-2)24(13-18)31(33)34/h5-14,16,20,28-29H,4,15H2,1-3H3,(H,30,32)