N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-ylidene]amino]-3-nitro-benzamide

Systemtic Name: N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-ylidene]amino]-3-nitro-benzamide Openeye Name: N-[(Z)-[(2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethylidene]amino]-3-nitro-benzamide CAS Name: N-[(Z)-[(1S)-1-(4-morpholin-4-iumyl)-1-phenylpropan-2-ylidene]amino]-3-nitrobenzamide IUPAC Name: N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]-3-nitrobenzamide Traditional Name: N-[(Z)-[(2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethylidene]amino]-3-nitro-benzamide Formula: C20H23N4O4+ MolecularWeight: 383.42102

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-])C(C2=CC=CC=C2)[NH+]3CCOCC3

Isomeric SMILES

C/C(=N/NC(=O)C1=CC(=CC=C1)[N+](=O)[O-])/[C@H](C2=CC=CC=C2)[NH+]3CCOCC3

InChI

InChI=1S/C20H22N4O4/c1-15(21-22-20(25)17-8-5-9-18(14-17)24(26)27)19(16-6-3-2-4-7-16)23-10-12-28-13-11-23/h2-9,14,19H,10-13H2,1H3,(H,22,25)/p+1/b21-15-/t19-/m1/s1