N-methyl-2-[(E)-2-(1-methyl-2,3-dihydro-1,4-benzodiazepin-5-yl)ethenyl]-4-nitro-aniline dihydrochloride

Systemtic Name: N-methyl-2-[(E)-2-(1-methyl-2,3-dihydro-1,4-benzodiazepin-5-yl)ethenyl]-4-nitro-aniline dihydrochloride Openeye Name: N-methyl-2-[(E)-2-(1-methyl-2,3-dihydro-1,4-benzodiazepin-5-yl)vinyl]-4-nitro-aniline dihydrochloride CAS Name: N-methyl-2-[(E)-2-(1-methyl-2,3-dihydro-1,4-benzodiazepin-5-yl)ethenyl]-4-nitroaniline dihydrochloride IUPAC Name: N-methyl-2-[(E)-2-(1-methyl-2,3-dihydro-1,4-benzodiazepin-5-yl)ethenyl]-4-nitroaniline dihydrochloride Traditional Name: methyl-[2-[(E)-2-(1-methyl-2,3-dihydro-1,4-benzodiazepin-5-yl)vinyl]-4-nitro-phenyl]amine dihydrochloride Formula: C19H22Cl2N4O2 MolecularWeight: 409.30958

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C=CC2=NCCN(C3=CC=CC=C32)C.Cl.Cl

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])/C=C/C2=NCCN(C3=CC=CC=C32)C.Cl.Cl

InChI

InChI=1S/C19H20N4O2.2ClH/c1-20-17-10-8-15(23(24)25)13-14(17)7-9-18-16-5-3-4-6-19(16)22(2)12-11-21-18;;/h3-10,13,20H,11-12H2,1-2H3;2*1H/b9-7+;;