N-[(5-methoxy-2-oxidanylidene-1-pentyl-indol-3-ylidene)amino]-3,5-dinitro-benzamide

Systemtic Name: N-[(5-methoxy-2-oxidanylidene-1-pentyl-indol-3-ylidene)amino]-3,5-dinitro-benzamide Openeye Name: N-[(5-methoxy-2-oxo-1-pentyl-indolin-3-ylidene)amino]-3,5-dinitro-benzamide CAS Name: N-[(5-methoxy-2-oxo-1-pentyl-3-indolylidene)amino]-3,5-dinitrobenzamide IUPAC Name: N-[(5-methoxy-2-oxo-1-pentylindol-3-ylidene)amino]-3,5-dinitrobenzamide Traditional Name: N-[(1-amyl-2-keto-5-methoxy-indolin-3-ylidene)amino]-3,5-dinitro-benzamide Formula: C21H21N5O7 MolecularWeight: 455.42074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C=C(C=C2)OC)C(=NNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C1=O

Isomeric SMILES

CCCCCN1C2=C(C=C(C=C2)OC)C(=NNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C1=O

InChI

InChI=1S/C21H21N5O7/c1-3-4-5-8-24-18-7-6-16(33-2)12-17(18)19(21(24)28)22-23-20(27)13-9-14(25(29)30)11-15(10-13)26(31)32/h6-7,9-12H,3-5,8H2,1-2H3,(H,23,27)