3-[3-[(E)-2-[3-(2-nitrophenyl)-4-oxidanylidene-quinazolin-2-yl]ethenyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[(E)-2-[3-(2-nitrophenyl)-4-oxidanylidene-quinazolin-2-yl]ethenyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[(E)-2-[3-(2-nitrophenyl)-4-oxo-quinazolin-2-yl]vinyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[(E)-2-[3-(2-nitrophenyl)-4-oxo-2-quinazolinyl]ethenyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[(E)-2-[3-(2-nitrophenyl)-4-oxoquinazolin-2-yl]ethenyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[(E)-2-[4-keto-3-(2-nitrophenyl)quinazolin-2-yl]vinyl]indol-1-yl]propionitrile Formula: C27H19N5O3 MolecularWeight: 461.47146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)C=CC3=CN(C4=CC=CC=C43)CCC#N)C5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)/C=C/C3=CN(C4=CC=CC=C43)CCC#N)C5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C27H19N5O3/c28-16-7-17-30-18-19(20-8-2-4-11-23(20)30)14-15-26-29-22-10-3-1-9-21(22)27(33)31(26)24-12-5-6-13-25(24)32(34)35/h1-6,8-15,18H,7,17H2/b15-14+