N-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-3-nitro-aniline

Systemtic Name: N-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-3-nitro-aniline Openeye Name: N-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-3-nitro-aniline CAS Name: N-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-3-nitroaniline IUPAC Name: N-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-3-nitroaniline Traditional Name: [(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-(3-nitrophenyl)amine Formula: C17H17N3O4 MolecularWeight: 327.33458

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=CC(=CC=C1)[N+](=O)[O-])C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C/C(=N/NC1=CC(=CC=C1)[N+](=O)[O-])/C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C17H17N3O4/c1-12(18-19-14-4-2-5-15(11-14)20(21)22)13-6-7-16-17(10-13)24-9-3-8-23-16/h2,4-7,10-11,19H,3,8-9H2,1H3/b18-12-