sodium 5-(4,4-dimethyl-2-oxidanylidene-3,1-benzoxazin-1-id-6-yl)-1-methyl-pyrrole-2-carbonitrile

Systemtic Name: sodium 5-(4,4-dimethyl-2-oxidanylidene-3,1-benzoxazin-1-id-6-yl)-1-methyl-pyrrole-2-carbonitrile Openeye Name: sodium 5-(4,4-dimethyl-2-oxo-3,1-benzoxazin-1-id-6-yl)-1-methyl-pyrrole-2-carbonitrile CAS Name: sodium 5-(4,4-dimethyl-2-oxo-3,1-benzoxazin-1-id-6-yl)-1-methyl-2-pyrrolecarbonitrile IUPAC Name: sodium 5-(4,4-dimethyl-2-oxo-3,1-benzoxazin-1-id-6-yl)-1-methylpyrrole-2-carbonitrile Traditional Name: sodium 5-(2-keto-4,4-dimethyl-3,1-benzoxazin-1-id-6-yl)-1-methyl-pyrrole-2-carbonitrile Formula: C16H14N3NaO2 MolecularWeight: 303.29103

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C3=CC=C(N3C)C#N)[N-]C(=O)O1)C.[Na+]

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C3=CC=C(N3C)C#N)[N-]C(=O)O1)C.[Na+]

InChI

InChI=1S/C16H15N3O2.Na/c1-16(2)12-8-10(4-6-13(12)18-15(20)21-16)14-7-5-11(9-17)19(14)3;/h4-8H,1-3H3,(H,18,20);/q;+1/p-1