3-methylbutyl (11E)-11-[(2,4-dinitrophenyl)hydrazinylidene]-6-oxidanylidene-naphtho[2,3-b]indolizine-12-carboxylate

Systemtic Name: 3-methylbutyl (11E)-11-[(2,4-dinitrophenyl)hydrazinylidene]-6-oxidanylidene-naphtho[2,3-b]indolizine-12-carboxylate Openeye Name: isopentyl (11E)-11-[(2,4-dinitrophenyl)hydrazono]-6-oxo-naphtho[2,3-b]indolizine-12-carboxylate CAS Name: (11E)-11-[(2,4-dinitrophenyl)hydrazinylidene]-6-oxo-12-naphtho[2,3-b]indolizinecarboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl (11E)-11-[(2,4-dinitrophenyl)hydrazinylidene]-6-oxonaphtho[2,3-b]indolizine-12-carboxylate Traditional Name: (11E)-11-[(2,4-dinitrophenyl)hydrazono]-6-keto-naphth[2,3-b]indolizine-12-carboxylic acid isoamyl ester Formula: C28H23N5O7 MolecularWeight: 541.51152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1=C2C=CC=CN2C3=C1C(=NNC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C5=CC=CC=C5C3=O

Isomeric SMILES

CC(C)CCOC(=O)C1=C2C=CC=CN2C3=C1/C(=N/NC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])/C5=CC=CC=C5C3=O

InChI

InChI=1S/C28H23N5O7/c1-16(2)12-14-40-28(35)23-21-9-5-6-13-31(21)26-24(23)25(18-7-3-4-8-19(18)27(26)34)30-29-20-11-10-17(32(36)37)15-22(20)33(38)39/h3-11,13,15-16,29H,12,14H2,1-2H3/b30-25+