N-[3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]-3-nitro-4-pyrrolidino-benzamide Formula: C26H24N4O5 MolecularWeight: 472.49256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)NC(=C3C=C(C=CC3=O)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-])O2)C

Isomeric SMILES

CC1=CC(=C2C(=C1)NC(=C3C=C(C=CC3=O)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-])O2)C

InChI

InChI=1S/C26H24N4O5/c1-15-11-16(2)24-20(12-15)28-26(35-24)19-14-18(6-8-23(19)31)27-25(32)17-5-7-21(22(13-17)30(33)34)29-9-3-4-10-29/h5-8,11-14,28H,3-4,9-10H2,1-2H3,(H,27,32)