[2-[[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl] anthracene-9-carboxylate

Systemtic Name: [2-[[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl] anthracene-9-carboxylate Openeye Name: [2-[[(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl]amino]-2-oxo-ethyl] anthracene-9-carboxylate CAS Name: 9-anthracenecarboxylic acid [2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] anthracene-9-carboxylate Traditional Name: anthracene-9-carboxylic acid [2-[[(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl]amino]-2-keto-ethyl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)NC(=O)COC(=O)C1=C2C=CC=CC2=CC3=CC=CC=C31

Isomeric SMILES

CCNC(=O)[C@H](C)NC(=O)COC(=O)C1=C2C=CC=CC2=CC3=CC=CC=C31

InChI

InChI=1S/C22H22N2O4/c1-3-23-21(26)14(2)24-19(25)13-28-22(27)20-17-10-6-4-8-15(17)12-16-9-5-7-11-18(16)20/h4-12,14H,3,13H2,1-2H3,(H,23,26)(H,24,25)/t14-/m0/s1