3-[(2-azanyl-4-fluoranyl-phenyl)amino]-8-nitro-6H-benzo[c][1]benzoxepin-11-one

Systemtic Name: 3-[(2-azanyl-4-fluoranyl-phenyl)amino]-8-nitro-6H-benzo[c][1]benzoxepin-11-one Openeye Name: 3-(2-amino-4-fluoro-anilino)-8-nitro-6H-benzo[c][1]benzoxepin-11-one CAS Name: 3-(2-amino-4-fluoroanilino)-8-nitro-6H-benzo[c][1]benzoxepin-11-one IUPAC Name: 3-(2-amino-4-fluoroanilino)-8-nitro-6H-benzo[c][1]benzoxepin-11-one Traditional Name: 3-(2-amino-4-fluoro-anilino)-8-nitro-6H-benzo[c][1]benzoxepin-11-one Formula: C20H14FN3O4 MolecularWeight: 379.341263

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)C3=C(O1)C=C(C=C3)NC4=C(C=C(C=C4)F)N

Isomeric SMILES

C1C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)C3=C(O1)C=C(C=C3)NC4=C(C=C(C=C4)F)N

InChI

InChI=1S/C20H14FN3O4/c21-12-1-6-18(17(22)8-12)23-13-2-4-16-19(9-13)28-10-11-7-14(24(26)27)3-5-15(11)20(16)25/h1-9,23H,10,22H2