(Z)-1-(1H-1,3-diazepin-7-yl)-3-(3-hydroxyphenyl)-3-nitro-prop-2-en-1-one

Systemtic Name: (Z)-1-(1H-1,3-diazepin-7-yl)-3-(3-hydroxyphenyl)-3-nitro-prop-2-en-1-one Openeye Name: (Z)-1-(1H-1,3-diazepin-7-yl)-3-(3-hydroxyphenyl)-3-nitro-prop-2-en-1-one CAS Name: (Z)-1-(1H-1,3-diazepin-7-yl)-3-(3-hydroxyphenyl)-3-nitro-2-propen-1-one IUPAC Name: (Z)-1-(1H-1,3-diazepin-7-yl)-3-(3-hydroxyphenyl)-3-nitroprop-2-en-1-one Traditional Name: (Z)-1-(1H-1,3-diazepin-7-yl)-3-(3-hydroxyphenyl)-3-nitro-prop-2-en-1-one Formula: C14H11N3O4 MolecularWeight: 285.25484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)C(=CC(=O)C2=CC=CN=CN2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)O)/C(=C/C(=O)C2=CC=CN=CN2)/[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O4/c18-11-4-1-3-10(7-11)13(17(20)21)8-14(19)12-5-2-6-15-9-16-12/h1-9,18H,(H,15,16)/b13-8-