methyl 5-azanyl-2-methyl-4-(4-nitrophenyl)-1-(phenylcarbamoylamino)pyrrole-3-carboxylate

Systemtic Name: methyl 5-azanyl-2-methyl-4-(4-nitrophenyl)-1-(phenylcarbamoylamino)pyrrole-3-carboxylate Openeye Name: methyl 5-amino-2-methyl-4-(4-nitrophenyl)-1-(phenylcarbamoylamino)pyrrole-3-carboxylate CAS Name: 5-amino-1-[[anilino(oxo)methyl]amino]-2-methyl-4-(4-nitrophenyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-2-methyl-4-(4-nitrophenyl)-1-(phenylcarbamoylamino)pyrrole-3-carboxylate Traditional Name: 5-amino-2-methyl-4-(4-nitrophenyl)-1-(phenylcarbamoylamino)pyrrole-3-carboxylic acid methyl ester Formula: C20H19N5O5 MolecularWeight: 409.39536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1NC(=O)NC2=CC=CC=C2)N)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(=C(N1NC(=O)NC2=CC=CC=C2)N)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H19N5O5/c1-12-16(19(26)30-2)17(13-8-10-15(11-9-13)25(28)29)18(21)24(12)23-20(27)22-14-6-4-3-5-7-14/h3-11H,21H2,1-2H3,(H2,22,23,27)