2-azanyl-4-(4-nitrophenyl)-8-oxidanylidene-4,5,6,7-tetrahydrochromene-3-carbonitrile

Systemtic Name: 2-azanyl-4-(4-nitrophenyl)-8-oxidanylidene-4,5,6,7-tetrahydrochromene-3-carbonitrile Openeye Name: 2-amino-4-(4-nitrophenyl)-8-oxo-4,5,6,7-tetrahydrochromene-3-carbonitrile CAS Name: 2-amino-4-(4-nitrophenyl)-8-oxo-4,5,6,7-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-(4-nitrophenyl)-8-oxo-4,5,6,7-tetrahydrochromene-3-carbonitrile Traditional Name: 2-amino-8-keto-4-(4-nitrophenyl)-4,5,6,7-tetrahydrochromene-3-carbonitrile Formula: C16H13N3O4 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=O)C1)OC(=C(C2C3=CC=C(C=C3)[N+](=O)[O-])C#N)N

Isomeric SMILES

C1CC2=C(C(=O)C1)OC(=C(C2C3=CC=C(C=C3)[N+](=O)[O-])C#N)N

InChI

InChI=1S/C16H13N3O4/c17-8-12-14(9-4-6-10(7-5-9)19(21)22)11-2-1-3-13(20)15(11)23-16(12)18/h4-7,14H,1-3,18H2