N7-[(3,4-dimethoxyphenyl)methyl]-4-nitro-N5-(phenylmethyl)-N7-prop-2-enyl-2,1,3-benzoxadiazole-5,7-diamine

Systemtic Name: N7-[(3,4-dimethoxyphenyl)methyl]-4-nitro-N5-(phenylmethyl)-N7-prop-2-enyl-2,1,3-benzoxadiazole-5,7-diamine Openeye Name: N7-allyl-N5-benzyl-N7-[(3,4-dimethoxyphenyl)methyl]-4-nitro-2,1,3-benzoxadiazole-5,7-diamine CAS Name: N7-[(3,4-dimethoxyphenyl)methyl]-4-nitro-N5-(phenylmethyl)-N7-prop-2-enyl-2,1,3-benzoxadiazole-5,7-diamine IUPAC Name: 5-N-benzyl-7-N-[(3,4-dimethoxyphenyl)methyl]-4-nitro-7-N-prop-2-enyl-2,1,3-benzoxadiazole-5,7-diamine Traditional Name: allyl-[6-(benzylamino)-7-nitro-benzofurazan-4-yl]-veratryl-amine Formula: C25H25N5O5 MolecularWeight: 475.4965

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC=C)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC=C)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCC4=CC=CC=C4)OC

InChI

InChI=1S/C25H25N5O5/c1-4-12-29(16-18-10-11-21(33-2)22(13-18)34-3)20-14-19(26-15-17-8-6-5-7-9-17)25(30(31)32)24-23(20)27-35-28-24/h4-11,13-14,26H,1,12,15-16H2,2-3H3