N-[(3E)-3-(3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-4-methyl-3,5-dinitro-benzamide

Systemtic Name: N-[(3E)-3-(3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-4-methyl-3,5-dinitro-benzamide Openeye Name: N-[(3E)-3-(3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]-4-methyl-3,5-dinitro-benzamide CAS Name: N-[(3E)-3-(3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]-4-methyl-3,5-dinitrobenzamide IUPAC Name: N-[(3E)-3-(3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]-4-methyl-3,5-dinitrobenzamide Traditional Name: N-[(3E)-3-(3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]-4-methyl-3,5-dinitro-benzamide Formula: C21H14N4O7 MolecularWeight: 434.35846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=CC(=C3NC4=CC=CC=C4O3)C(=O)C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=C/C(=C\3/NC4=CC=CC=C4O3)/C(=O)C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H14N4O7/c1-11-16(24(28)29)8-12(9-17(11)25(30)31)20(27)22-13-6-7-18(26)14(10-13)21-23-15-4-2-3-5-19(15)32-21/h2-10,23H,1H3,(H,22,27)/b21-14+