6-[(E)-3-[4-(dimethylamino)-3-nitro-phenyl]prop-2-enoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[(E)-3-[4-(dimethylamino)-3-nitro-phenyl]prop-2-enoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[(E)-3-[4-(dimethylamino)-3-nitro-phenyl]prop-2-enoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[(E)-3-[4-(dimethylamino)-3-nitrophenyl]-1-oxoprop-2-enyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(E)-3-[4-(dimethylamino)-3-nitrophenyl]prop-2-enoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[(E)-3-[4-(dimethylamino)-3-nitro-phenyl]acryloyl]-4H-1,4-benzoxazin-3-one Formula: C19H17N3O5 MolecularWeight: 367.35538

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C=CC(=O)C2=CC3=C(C=C2)OCC(=O)N3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)/C=C/C(=O)C2=CC3=C(C=C2)OCC(=O)N3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O5/c1-21(2)15-6-3-12(9-16(15)22(25)26)4-7-17(23)13-5-8-18-14(10-13)20-19(24)11-27-18/h3-10H,11H2,1-2H3,(H,20,24)/b7-4+