4-[(4,6-dimethylpyrimidin-2-yl)amino]-3-nitro-chromen-2-one

Systemtic Name: 4-[(4,6-dimethylpyrimidin-2-yl)amino]-3-nitro-chromen-2-one Openeye Name: 4-[(4,6-dimethylpyrimidin-2-yl)amino]-3-nitro-chromen-2-one CAS Name: 4-[(4,6-dimethyl-2-pyrimidinyl)amino]-3-nitro-1-benzopyran-2-one IUPAC Name: 4-[(4,6-dimethylpyrimidin-2-yl)amino]-3-nitrochromen-2-one Traditional Name: 4-[(4,6-dimethylpyrimidin-2-yl)amino]-3-nitro-coumarin Formula: C15H12N4O4 MolecularWeight: 312.28018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-])C

InChI

InChI=1S/C15H12N4O4/c1-8-7-9(2)17-15(16-8)18-12-10-5-3-4-6-11(10)23-14(20)13(12)19(21)22/h3-7H,1-2H3,(H,16,17,18)