4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-nitro-benzenecarbonitrile

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-nitro-benzenecarbonitrile Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-nitro-benzonitrile CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-nitrobenzonitrile IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-nitrobenzonitrile Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-nitro-benzonitrile Formula: C16H13N3O4 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC3=C(C=C(C=C3)C#N)[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC3=C(C=C(C=C3)C#N)[N+](=O)[O-])OC1

InChI

InChI=1S/C16H13N3O4/c17-10-11-2-4-13(14(8-11)19(20)21)18-12-3-5-15-16(9-12)23-7-1-6-22-15/h2-5,8-9,18H,1,6-7H2