2-[[[5-(hydroxymethyl)-2-methyl-3-oxidanylidene-pyridin-4-ylidene]methylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[[5-(hydroxymethyl)-2-methyl-3-oxidanylidene-pyridin-4-ylidene]methylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridylidene]methylamino]methyl]-4-nitro-phenolate CAS Name: 2-[[[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridinylidene]methylamino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[5-(hydroxymethyl)-2-methyl-3-oxopyridin-4-ylidene]methylamino]methyl]-4-nitrophenolate Traditional Name: 2-[[(3-keto-2-methyl-5-methylol-4-pyridylidene)methylamino]methyl]-4-nitro-phenolate Formula: C15H14N3O5- MolecularWeight: 316.28876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNCC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C1=O)CO

Isomeric SMILES

CC1=NC=C(C(=CNCC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C1=O)CO

InChI

InChI=1S/C15H15N3O5/c1-9-15(21)13(11(8-19)6-17-9)7-16-5-10-4-12(18(22)23)2-3-14(10)20/h2-4,6-7,16,19-20H,5,8H2,1H3/p-1