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

Systemtic Name: N-[[5-methoxy-1-(3-methylbutyl)-2-oxidanylidene-indol-3-ylidene]amino]-3,5-dinitro-benzamide Openeye Name: N-[(1-isopentyl-5-methoxy-2-oxo-indolin-3-ylidene)amino]-3,5-dinitro-benzamide CAS Name: N-[[5-methoxy-1-(3-methylbutyl)-2-oxo-3-indolylidene]amino]-3,5-dinitrobenzamide IUPAC Name: N-[[5-methoxy-1-(3-methylbutyl)-2-oxoindol-3-ylidene]amino]-3,5-dinitrobenzamide Traditional Name: N-[(1-isoamyl-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:

CC(C)CCN1C2=C(C=C(C=C2)OC)C(=NNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C1=O

Isomeric SMILES

CC(C)CCN1C2=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/c1-12(2)6-7-24-18-5-4-16(33-3)11-17(18)19(21(24)28)22-23-20(27)13-8-14(25(29)30)10-15(9-13)26(31)32/h4-5,8-12H,6-7H2,1-3H3,(H,23,27)