N-[(3-nitrophenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine

Systemtic Name: N-[(3-nitrophenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine Openeye Name: N-[(3-nitrophenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine CAS Name: N-[(3-nitrophenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine IUPAC Name: N-[(3-nitrophenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-nitrobenzyl)amine Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NCC3=CC(=CC=C3)[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NCC3=CC(=CC=C3)[N+](=O)[O-])OC1

InChI

InChI=1S/C16H16N2O4/c19-18(20)14-4-1-3-12(9-14)11-17-13-5-6-15-16(10-13)22-8-2-7-21-15/h1,3-6,9-10,17H,2,7-8,11H2