2-methyl-4-(3-nitropyridin-2-yl)-1,3,4-benzoxadiazepin-5-one

Systemtic Name: 2-methyl-4-(3-nitropyridin-2-yl)-1,3,4-benzoxadiazepin-5-one Openeye Name: 2-methyl-4-(3-nitro-2-pyridyl)-1,3,4-benzoxadiazepin-5-one CAS Name: 2-methyl-4-(3-nitro-2-pyridinyl)-1,3,4-benzoxadiazepin-5-one IUPAC Name: 2-methyl-4-(3-nitropyridin-2-yl)-1,3,4-benzoxadiazepin-5-one Traditional Name: 2-methyl-4-(3-nitro-2-pyridyl)-1,3,4-benzoxadiazepin-5-one Formula: C14H10N4O4 MolecularWeight: 298.2536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C2O1)C3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C2O1)C3=C(C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C14H10N4O4/c1-9-16-17(13-11(18(20)21)6-4-8-15-13)14(19)10-5-2-3-7-12(10)22-9/h2-8H,1H3