1-[(2,5-dimethylphenyl)methyl]-2-methyl-3-[(E)-2-nitroprop-1-enyl]indole

Systemtic Name: 1-[(2,5-dimethylphenyl)methyl]-2-methyl-3-[(E)-2-nitroprop-1-enyl]indole Openeye Name: 1-[(2,5-dimethylphenyl)methyl]-2-methyl-3-[(E)-2-nitroprop-1-enyl]indole CAS Name: 1-[(2,5-dimethylphenyl)methyl]-2-methyl-3-[(E)-2-nitroprop-1-enyl]indole IUPAC Name: 1-[(2,5-dimethylphenyl)methyl]-2-methyl-3-[(E)-2-nitroprop-1-enyl]indole Traditional Name: 1-(2,5-dimethylbenzyl)-2-methyl-3-[(E)-2-nitroprop-1-enyl]indole Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C(=C(C3=CC=CC=C32)C=C(C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C(=C(C3=CC=CC=C32)/C=C(\C)/[N+](=O)[O-])C

InChI

InChI=1S/C21H22N2O2/c1-14-9-10-15(2)18(11-14)13-22-17(4)20(12-16(3)23(24)25)19-7-5-6-8-21(19)22/h5-12H,13H2,1-4H3/b16-12+