N-[(E)-(1-methoxy-3,3-dimethyl-butan-2-ylidene)amino]-2,4-dinitro-aniline

Systemtic Name: N-[(E)-(1-methoxy-3,3-dimethyl-butan-2-ylidene)amino]-2,4-dinitro-aniline Openeye Name: N-[(E)-[1-(methoxymethyl)-2,2-dimethyl-propylidene]amino]-2,4-dinitro-aniline CAS Name: N-[(E)-(1-methoxy-3,3-dimethylbutan-2-ylidene)amino]-2,4-dinitroaniline IUPAC Name: N-[(E)-(1-methoxy-3,3-dimethylbutan-2-ylidene)amino]-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-[(E)-[1-(methoxymethyl)-2,2-dimethyl-propylidene]amino]amine Formula: C13H18N4O5 MolecularWeight: 310.30582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])COC

Isomeric SMILES

CC(C)(C)/C(=N\NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/COC

InChI

InChI=1S/C13H18N4O5/c1-13(2,3)12(8-22-4)15-14-10-6-5-9(16(18)19)7-11(10)17(20)21/h5-7,14H,8H2,1-4H3/b15-12-