N-[(Z)-[4-(1-adamantylamino)-4-oxidanylidene-butan-2-ylidene]amino]-4-nitro-benzamide

Systemtic Name: N-[(Z)-[4-(1-adamantylamino)-4-oxidanylidene-butan-2-ylidene]amino]-4-nitro-benzamide Openeye Name: N-[(Z)-[3-(1-adamantylamino)-1-methyl-3-oxo-propylidene]amino]-4-nitro-benzamide CAS Name: N-[(Z)-[4-(1-adamantylamino)-4-oxobutan-2-ylidene]amino]-4-nitrobenzamide IUPAC Name: N-[(Z)-[4-(1-adamantylamino)-4-oxobutan-2-ylidene]amino]-4-nitrobenzamide Traditional Name: N-[(Z)-[3-(1-adamantylamino)-3-keto-1-methyl-propylidene]amino]-4-nitro-benzamide Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=C(C=C1)[N+](=O)[O-])CC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C/C(=N/NC(=O)C1=CC=C(C=C1)[N+](=O)[O-])/CC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H26N4O4/c1-13(23-24-20(27)17-2-4-18(5-3-17)25(28)29)6-19(26)22-21-10-14-7-15(11-21)9-16(8-14)12-21/h2-5,14-16H,6-12H2,1H3,(H,22,26)(H,24,27)/b23-13-