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

Systemtic Name: 3-azanyl-N-[(E)-[4-[(4-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-butan-2-ylidene]amino]-5-nitro-benzamide Openeye Name: 3-amino-N-[(E)-[3-(4-chloro-2-methyl-anilino)-1-methyl-3-oxo-propylidene]amino]-5-nitro-benzamide CAS Name: 3-amino-N-[(E)-[4-(4-chloro-2-methylanilino)-4-oxobutan-2-ylidene]amino]-5-nitrobenzamide IUPAC Name: 3-amino-N-[(E)-[4-(4-chloro-2-methylanilino)-4-oxobutan-2-ylidene]amino]-5-nitrobenzamide Traditional Name: 3-amino-N-[(E)-[3-(4-chloro-2-methyl-anilino)-3-keto-1-methyl-propylidene]amino]-5-nitro-benzamide Formula: C18H18ClN5O4 MolecularWeight: 403.81962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)NC(=O)CC(=NNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])N)C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)NC(=O)C/C(=N/NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])N)/C

InChI

InChI=1S/C18H18ClN5O4/c1-10-5-13(19)3-4-16(10)21-17(25)6-11(2)22-23-18(26)12-7-14(20)9-15(8-12)24(27)28/h3-5,7-9H,6,20H2,1-2H3,(H,21,25)(H,23,26)/b22-11+