3-azanyl-N-[(E)-[4-[(4-methoxy-2-nitro-phenyl)amino]-4-oxidanylidene-butan-2-ylidene]amino]-5-nitro-benzamide

Systemtic Name: 3-azanyl-N-[(E)-[4-[(4-methoxy-2-nitro-phenyl)amino]-4-oxidanylidene-butan-2-ylidene]amino]-5-nitro-benzamide Openeye Name: 3-amino-N-[(E)-[3-(4-methoxy-2-nitro-anilino)-1-methyl-3-oxo-propylidene]amino]-5-nitro-benzamide CAS Name: 3-amino-N-[(E)-[4-(4-methoxy-2-nitroanilino)-4-oxobutan-2-ylidene]amino]-5-nitrobenzamide IUPAC Name: 3-amino-N-[(E)-[4-(4-methoxy-2-nitroanilino)-4-oxobutan-2-ylidene]amino]-5-nitrobenzamide Traditional Name: 3-amino-N-[(E)-[3-keto-3-(4-methoxy-2-nitro-anilino)-1-methyl-propylidene]amino]-5-nitro-benzamide Formula: C18H18N6O7 MolecularWeight: 430.37152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])N)CC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H18N6O7/c1-10(21-22-18(26)11-6-12(19)8-13(7-11)23(27)28)5-17(25)20-15-4-3-14(31-2)9-16(15)24(29)30/h3-4,6-9H,5,19H2,1-2H3,(H,20,25)(H,22,26)/b21-10+