N-[(Z)-[4-[(2S)-butan-2-yl]oxy-3-methoxy-phenyl]methylideneamino]-2,4-dinitro-aniline

Systemtic Name: N-[(Z)-[4-[(2S)-butan-2-yl]oxy-3-methoxy-phenyl]methylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(Z)-[3-methoxy-4-[(1S)-1-methylpropoxy]phenyl]methyleneamino]-2,4-dinitro-aniline CAS Name: N-[(Z)-[4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]methylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(Z)-[4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]methylideneamino]-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-[(Z)-[3-methoxy-4-[(1S)-1-methylpropoxy]benzylidene]amino]amine Formula: C18H20N4O6 MolecularWeight: 388.3746

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=C(C=C(C=C1)C=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

CC[C@H](C)OC1=C(C=C(C=C1)/C=N\NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C18H20N4O6/c1-4-12(2)28-17-8-5-13(9-18(17)27-3)11-19-20-15-7-6-14(21(23)24)10-16(15)22(25)26/h5-12,20H,4H2,1-3H3/b19-11-/t12-/m0/s1