4-[[2-azanyl-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: 4-[[2-azanyl-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: 4-[(2-amino-3,4-dioxo-cyclobuten-1-yl)amino]-3-hydroxy-2,2-dimethyl-chromane-6-carbonitrile CAS Name: 4-[(2-amino-3,4-dioxo-1-cyclobutenyl)amino]-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 4-[(2-amino-3,4-dioxocyclobuten-1-yl)amino]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: 4-[(2-amino-3,4-diketo-cyclobuten-1-yl)amino]-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile Formula: C16H15N3O4 MolecularWeight: 313.308

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC3=C(C(=O)C3=O)N)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC3=C(C(=O)C3=O)N)O)C

InChI

InChI=1S/C16H15N3O4/c1-16(2)15(22)11(19-12-10(18)13(20)14(12)21)8-5-7(6-17)3-4-9(8)23-16/h3-5,11,15,19,22H,18H2,1-2H3