N-[(E)-(4-butoxyphenyl)methylideneamino]-3-methyl-5-nitro-1H-indole-2-carboxamide

Systemtic Name: N-[(E)-(4-butoxyphenyl)methylideneamino]-3-methyl-5-nitro-1H-indole-2-carboxamide Openeye Name: N-[(E)-(4-butoxyphenyl)methyleneamino]-3-methyl-5-nitro-1H-indole-2-carboxamide CAS Name: N-[(E)-(4-butoxyphenyl)methylideneamino]-3-methyl-5-nitro-1H-indole-2-carboxamide IUPAC Name: N-[(E)-(4-butoxyphenyl)methylideneamino]-3-methyl-5-nitro-1H-indole-2-carboxamide Traditional Name: N-[(E)-(4-butoxybenzylidene)amino]-3-methyl-5-nitro-1H-indole-2-carboxamide Formula: C21H22N4O4 MolecularWeight: 394.42378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=NNC(=O)C2=C(C3=C(N2)C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=N/NC(=O)C2=C(C3=C(N2)C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H22N4O4/c1-3-4-11-29-17-8-5-15(6-9-17)13-22-24-21(26)20-14(2)18-12-16(25(27)28)7-10-19(18)23-20/h5-10,12-13,23H,3-4,11H2,1-2H3,(H,24,26)/b22-13+