[(2-methyl-3-nitro-phenyl)amino]-(3-oxidanylidene-1-benzofuran-2-ylidene)methanolate

Systemtic Name: [(2-methyl-3-nitro-phenyl)amino]-(3-oxidanylidene-1-benzofuran-2-ylidene)methanolate Openeye Name: (2-methyl-3-nitro-anilino)-(3-oxobenzofuran-2-ylidene)methanolate CAS Name: (2-methyl-3-nitroanilino)-(3-oxo-2-benzofuranylidene)methanolate IUPAC Name: (2-methyl-3-nitroanilino)-(3-oxo-1-benzofuran-2-ylidene)methanolate Traditional Name: (3-ketocoumaran-2-ylidene)-(2-methyl-3-nitro-anilino)methanolate Formula: C16H11N2O5- MolecularWeight: 311.26894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=C2C(=O)C3=CC=CC=C3O2)[O-]

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=C2C(=O)C3=CC=CC=C3O2)[O-]

InChI

InChI=1S/C16H12N2O5/c1-9-11(6-4-7-12(9)18(21)22)17-16(20)15-14(19)10-5-2-3-8-13(10)23-15/h2-8,17,20H,1H3/p-1