4-methyl-N-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]aniline

Systemtic Name: 4-methyl-N-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]aniline Openeye Name: 4-methyl-N-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]aniline CAS Name: 4-methyl-N-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]aniline IUPAC Name: 4-methyl-N-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]aniline Traditional Name: [(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl-(p-tolyl)amine Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NCC2OCC3=C(CO2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC[C@H]2OCC3=C(CO2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O4/c1-12-2-5-15(6-3-12)18-9-17-22-10-13-4-7-16(19(20)21)8-14(13)11-23-17/h2-8,17-18H,9-11H2,1H3/t17-/m0/s1