N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-3-nitro-aniline

Systemtic Name: N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-3-nitro-aniline Openeye Name: N-[(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]-3-nitro-aniline CAS Name: N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-3-nitroaniline IUPAC Name: N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-3-nitroaniline Traditional Name: [(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]-(3-nitrophenyl)amine Formula: C17H17N3O4 MolecularWeight: 327.33458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=CC(=CC=C1)[N+](=O)[O-])CCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C/C(=N\NC1=CC(=CC=C1)[N+](=O)[O-])/CCC2=CC3=C(C=C2)OCO3

InChI

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