N-[4-(4-methylcyclohexa-1,5-dien-1-yl)-1,3-thiazol-2-yl]-4-nitro-benzamide

Systemtic Name: N-[4-(4-methylcyclohexa-1,5-dien-1-yl)-1,3-thiazol-2-yl]-4-nitro-benzamide Openeye Name: N-[4-(4-methylcyclohexa-1,5-dien-1-yl)thiazol-2-yl]-4-nitro-benzamide CAS Name: N-[4-(4-methyl-1-cyclohexa-1,5-dienyl)-2-thiazolyl]-4-nitrobenzamide IUPAC Name: N-[4-(4-methylcyclohexa-1,5-dien-1-yl)-1,3-thiazol-2-yl]-4-nitrobenzamide Traditional Name: N-[4-(4-methylcyclohexa-1,5-dien-1-yl)thiazol-2-yl]-4-nitro-benzamide Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O3S/c1-11-2-4-12(5-3-11)15-10-24-17(18-15)19-16(21)13-6-8-14(9-7-13)20(22)23/h2,4-11H,3H2,1H3,(H,18,19,21)